(E)-3-[3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-[3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile Openeye Name: (E)-3-[3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile CAS Name: (E)-3-[3-(4-methoxy-3-nitrophenyl)-1-phenyl-4-pyrazolyl]-2-(1-methyl-2-benzimidazolyl)-2-propenenitrile IUPAC Name: (E)-3-[3-(4-methoxy-3-nitrophenyl)-1-phenylpyrazol-4-yl]-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-[3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]-2-(1-methylbenzimidazol-2-yl)acrylonitrile Formula: C27H20N6O3 MolecularWeight: 476.4861

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C(=CC3=CN(N=C3C4=CC(=C(C=C4)OC)[N+](=O)[O-])C5=CC=CC=C5)C#N

Isomeric SMILES

CN1C2=CC=CC=C2N=C1/C(=C/C3=CN(N=C3C4=CC(=C(C=C4)OC)[N+](=O)[O-])C5=CC=CC=C5)/C#N

InChI

InChI=1S/C27H20N6O3/c1-31-23-11-7-6-10-22(23)29-27(31)19(16-28)14-20-17-32(21-8-4-3-5-9-21)30-26(20)18-12-13-25(36-2)24(15-18)33(34)35/h3-15,17H,1-2H3/b19-14+